Information card for entry 2214979

Structure parameters

• Chemical name: Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate
• Formula: C27 H35 Mn N5 O12
• Calculated formula: C27 H35 Mn N5 O12
• SMILES: [Mn]([n]1ccc(cc1)c1ccncc1)([n]1ccc(cc1)c1ccncc1)([OH2])([OH2])([OH2])[OH2].C(=O)(c1cccc(C(=O)[O-])n1)[O-].O.O.O.O
• Title of publication: Tetraaquabis(4,4'-bipyridine)manganese(II) pyridine-2,6-dicarboxylate tetrahydrate
• Authors of publication: Gao, Yu-Xiang; Wang, Li-Bin; Niu, Yan-Ling
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2283 - m2283
• a: 18.407 ± 0.002 Å
• b: 6.8231 ± 0.001 Å
• c: 25.2925 ± 0.001 Å
• α: 90°
• β: 99.4 ± 0.02°
• γ: 90°
• Cell volume: 3133.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes